REMARK  Name = BDB032980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.456   2.493   2.146  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.891   1.712   0.996  0.00  0.00    -0.037 A 
ATOM      3  C   LIG    1       -1.521   1.683  -0.253  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.970   0.956  -1.310  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        0.212   0.232  -1.118  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.885   0.234   0.112  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.298   0.977   1.158  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        2.062  -0.480   0.350  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        2.495  -1.550  -0.571  0.00  0.00    +0.120 C 
ATOM     10  C   LIG    1        3.457  -1.024  -1.665  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1        4.613  -0.239  -1.175  0.00  0.00    -0.302 NA
ATOM     12  C   LIG    1        5.620  -1.095  -0.551  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        4.127   0.803  -0.240  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        3.200   0.298   0.895  0.00  0.00    +0.120 C 
ENDBRANCH   6   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.748   2.462  -0.505  0.00  0.00    +0.250 C 
ATOM     16  N   LIG    1       -3.985   1.869  -0.484  0.00  0.00    -0.261 N 
ATOM     17  H   LIG    1       -4.761   2.481  -0.690  0.00  0.00    +0.157 HD
ATOM     18  O   LIG    1       -2.644   3.663  -0.746  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.264   0.576  -0.157  0.00  0.00    +0.167 A 
ATOM     20  S   LIG    1       -5.929   0.188  -0.204  0.00  0.00    -0.028 S 
ATOM     21  C   LIG    1       -5.538  -1.397   0.273  0.00  0.00    +0.185 A 
ATOM     22  C   LIG    1       -4.181  -1.538   0.440  0.00  0.00    +0.153 A 
ATOM     23  N   LIG    1       -3.450  -0.389   0.189  0.00  0.00    -0.231 NA
BRANCH  21  24
ATOM     24  N   LIG    1       -6.536  -2.399   0.458  0.00  0.00    +0.065 N 
ATOM     25  O   LIG    1       -6.133  -3.518   0.801  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -7.718  -2.089   0.267  0.00  0.00    -0.126 OA
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 4